SCHEMBL971547

SCHEMBL971547

C=CCN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 7/20 0.35
▸ CPB1 P15086 1/20 0.35
▸ HCAR3 P49019 1/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ ITGB7 P26010 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL971546 1.00 CPB2 (0.35) CPB2CPB1HCAR3ITGB1ITGA4
SCHEMBL10915791 0.87 CPB2 (0.36) CPB2CPB1
SCHEMBL31254181 0.85 SIRT2 (0.33) —
SCHEMBL5893971 0.83 CPB2 (0.32) CPB2CPB1
SCHEMBL5893967 0.83 CPB2 (0.32) CPB2CPB1
SCHEMBL147911 0.82 CPB2 (0.38) CPB2CPB1
SCHEMBL28558505 0.82 CPB2 (0.38) CPB2CPB1
SCHEMBL10777853 0.82 CPB2 (0.40) CPB2CPB1
SCHEMBL7074055 0.82 CPB2 (0.40) CPB2CPB1
Hydrochloric Acid SCHEMBL31172342 0.82 CPB2 (0.31) CPB2CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1133173-A Preparation of diuretic by using neuropsychic tension antagonist SANOFI SA (FR) 1996-10-16 — — CN claimed
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2026-04-30 — — US disclosed
CN-119823223-A Apelin peptide energy macrocycle and application thereof SOCPRA健康与人文科学有限公司 2025-04-15 — — CN disclosed
EP-4448547-A1 APELINERGIC MACROCYCLES AND USES THEREOF Socpra Sciences Santé Et Humaines S.E.C. (CA) 2024-10-23 — — EP disclosed
CN-118829646-A Apelin peptide energy macrocycle and application thereof SOCPRA健康与人文科学有限公司 2024-10-22 — — CN disclosed
US-20240343761-A1 APELINERGIC MACROCYCLES AND USES THEREOF SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2024-10-17 — — US disclosed
WO-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 — — WO disclosed
US-20240207418-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. 2024-06-27 — — US disclosed
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-06-27 — — US disclosed
CN-118055943-A Cyclic peptide antibiotics 基因泰克公司 2024-05-17 — — CN disclosed
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2011-01-27 — — US disclosed
EP-2265283-A1 AURISTATIN DRUG LINKER CONJUGATES Seattle Genetics, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009117531-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2009-09-24 — — WO disclosed
US-20080081801-A1 PORPHYRIN OXYGEN INFUSION FOR INCREASING CONCENTRATIONS IN TUMOR TISSUES TSUCHIDA EISHUN 2008-04-03 — — US disclosed
US-20050222116-A1 Porphyrin oxygen infusion preparation for increasing oxygen concentration in tumor tissue NIPRO CORPORATION (JP) 2005-10-06 — — US disclosed
CN-1674891-A Porphyrin oxygen infusion preparation for increasing oxygen concentration in tumor tissue NIPRO CORP (JP) 2005-09-28 — — CN disclosed
EP-1512399-A1 PORPHYRIN OXYGEN INFUSION PREPARATION FOR INCREASING OXYGEN CONCENTRATION IN TUMOR TISSUE Nipro Corporation (JP) 2005-03-09 — — EP disclosed
CN-1133173-A Preparation of diuretic by using neuropsychic tension antagonist SANOFI SA (FR) 1996-10-16 — — CN disclosed
WO-1990006914-A1 N-ALKYLATION OF N-ALPHA-BOC-PROTECTED AMINO ACIDS THE UPJOHN COMPANY (US) 1990-06-28 — — WO disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240207418-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 CPB2 2555/4885CPB1 2381/4885HCAR3 153/4885
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB CPB2 3181/4885CPB1 2270/4885HCAR3 179/4885
US-20240343761-A1 APELINERGIC MACROCYCLES AND USES THEREOF APLNR, AP3D1, AP3B1 CPB2 440/4885CPB1 904/4885HCAR3 201/4885
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS IL1A, IL1B, IL1RN CPB2 1021/4885CPB1 805/4885HCAR3 446/4885
US-20240207429-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PAICS, DHFR, CD44 CPB2 2555/4885CPB1 2381/4885HCAR3 153/4885
US-20080081801-A1 PORPHYRIN OXYGEN INFUSION FOR INCREASING CONCENTRATIONS IN TUMOR TISSUES ALB, PPOX, PPIF CPB2 568/4885CPB1 768/4885HCAR3 4306/4885
US-20050222116-A1 Porphyrin oxygen infusion preparation for increasing oxygen concentration in tumor tissue ALB, PPOX, PPIF CPB2 734/4885CPB1 935/4885HCAR3 4675/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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